2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

C17H22F2N2 — CID 145320345

IUPAC2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1
InChIInChI=1S/C17H22F2N2/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21/h4-8,11,16-17H,3,9-10,12H2,1-2H3/b6-4-,14-5+
InChIKeyFQXKRSLRXHRJRM-XJXGAQLSSA-N
MW292.37 g/mol
LogP3.73
Rot. Bonds4

About 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 145320345) has the molecular formula C17H22F2N2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
PubChem CID145320345
Molecular FormulaC17H22F2N2
Molecular Weight292.37 g/mol
Exact Mass292.18
IUPAC Name2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1
InChIInChI=1S/C17H22F2N2/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21/h4-8,11,16-17H,3,9-10,12H2,1-2H3/b6-4-,14-5+
InChIKeyFQXKRSLRXHRJRM-XJXGAQLSSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
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CID 90140855
1-Methyl-4-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 123544546
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 129260193
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340540
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine
CID 139453629
4-[(4-Methylpiperazin-1-yl)methylidene]-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141350612
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexa-1,5-dien-1-amine
CID 141950109

Frequently Asked Questions

What is the IUPAC name of 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (CID 145320345) is 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is C=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1.
What is the InChIKey of 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is FQXKRSLRXHRJRM-XJXGAQLSSA-N. The full InChI is InChI=1S/C17H22F2N2/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21/h4-8,11,16-17H,3,9-10,12H2,1-2H3/b6-4-,14-5+.
What are the key properties of 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 292.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 145320345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).